C4E

N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine

Created:	2008-01-30
Last modified:	2011-06-04

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1 entries where C4E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	16

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Chemical Component Summary
Name	N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
Systematic Name (OpenEye OEToolkits)	N-phenyl-1H-pyrrolo[5,4-b]pyridin-3-amine
Formula	C₁₃ H₁₁ N₃
Molecular Weight	209.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cccc2c1ncc2Nc3ccccc3
SMILES	CACTVS	3.341	[nH]1cc(Nc2ccccc2)c3cccnc13
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Nc2c[nH]c3c2cccn3
Canonical SMILES	CACTVS	3.341	[nH]1cc(Nc2ccccc2)c3cccnc13
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Nc2c[nH]c3c2cccn3
InChI	InChI	1.03	InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)
InChIKey	InChI	1.03	CQFGXDQUQWRXLE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07524
Name	N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
Groups	experimental
Synonyms	N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serine/threonine-protein kinase pim-1	MPHEPHEPLTPPFSALPDPAGAPSRRQSRQRPQLSSDSPSAFRASRSHSR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682